USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 396 HIS : no HD1:sc= 0.207 K(o=0.34,f=-3.3) USER MOD Set 1.2: A 405 THR OG1 : rot 130:sc= 0.136 USER MOD Single : A 377 THR OG1 : rot 180:sc= 0 USER MOD Single : A 380 SER OG : rot 180:sc= 0 USER MOD Single : A 382 ASN :FLIP amide:sc= -0.67 F(o=-3.2!,f=-0.67) USER MOD Single : A 383 LYS NZ :NH3+ 152:sc= -3.12! (180deg=-5.44!) USER MOD Single : A 384 LYS NZ :NH3+ -118:sc= -1.17 (180deg=-4.97!) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 390 LYS NZ :NH3+ 167:sc=-0.00911 (180deg=-0.219) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ -132:sc= 0.436 (180deg=-0.211) USER MOD Single : A 397 ASN : amide:sc= 0.406 K(o=0.41,f=-3.3!) USER MOD Single : A 401 ASN : amide:sc= -0.453 X(o=-0.45,f=-0.37) USER MOD Single : A 402 LYS NZ :NH3+ 168:sc= -0.0371 (180deg=-0.214) USER MOD Single : A 403 LYS NZ :NH3+ -167:sc= -0.0118 (180deg=-0.189) USER MOD Single : A 408 LYS NZ :NH3+ 167:sc= -0.0234 (180deg=-0.221) USER MOD Single : A 412 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -3.379 5.923 -4.267 1.00 0.00 N ATOM 340 CA GLU A 376 -4.401 6.510 -3.411 1.00 0.00 C ATOM 341 C GLU A 376 -5.351 7.400 -4.199 1.00 0.00 C ATOM 342 O GLU A 376 -5.310 8.627 -4.104 1.00 0.00 O ATOM 343 CB GLU A 376 -3.750 7.302 -2.286 1.00 0.00 C ATOM 344 CG GLU A 376 -2.762 8.345 -2.779 1.00 0.00 C ATOM 345 CD GLU A 376 -1.999 9.011 -1.650 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.646 9.635 -0.782 1.00 0.00 O ATOM 347 OE2 GLU A 376 -0.754 8.908 -1.633 1.00 0.00 O ATOM 0 HA GLU A 376 -4.987 5.695 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -4.527 7.795 -1.701 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -3.236 6.613 -1.616 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -2.054 7.875 -3.462 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -3.297 9.105 -3.348 1.00 0.00 H new ATOM 354 N THR A 377 -6.212 6.762 -4.964 1.00 0.00 N ATOM 355 CA THR A 377 -7.200 7.462 -5.772 1.00 0.00 C ATOM 356 C THR A 377 -8.475 6.644 -5.882 1.00 0.00 C ATOM 357 O THR A 377 -8.432 5.416 -5.964 1.00 0.00 O ATOM 358 CB THR A 377 -6.681 7.767 -7.189 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.286 6.553 -7.839 1.00 0.00 O ATOM 360 CG2 THR A 377 -5.506 8.732 -7.147 1.00 0.00 C ATOM 0 H THR A 377 -6.250 5.746 -5.046 1.00 0.00 H new ATOM 0 HA THR A 377 -7.403 8.407 -5.268 1.00 0.00 H new ATOM 0 HB THR A 377 -7.490 8.234 -7.751 1.00 0.00 H new ATOM 0 HG1 THR A 377 -5.959 6.756 -8.740 1.00 0.00 H new ATOM 0 HG21 THR A 377 -5.160 8.929 -8.162 1.00 0.00 H new ATOM 0 HG22 THR A 377 -5.819 9.667 -6.683 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.695 8.293 -6.566 1.00 0.00 H new ATOM 368 N GLU A 378 -9.609 7.333 -5.875 1.00 0.00 N ATOM 369 CA GLU A 378 -10.905 6.674 -5.965 1.00 0.00 C ATOM 370 C GLU A 378 -10.947 5.748 -7.169 1.00 0.00 C ATOM 371 O GLU A 378 -11.503 4.652 -7.109 1.00 0.00 O ATOM 372 CB GLU A 378 -12.022 7.713 -6.073 1.00 0.00 C ATOM 373 CG GLU A 378 -13.418 7.108 -6.103 1.00 0.00 C ATOM 374 CD GLU A 378 -14.506 8.156 -6.228 1.00 0.00 C ATOM 375 OE1 GLU A 378 -14.500 8.903 -7.229 1.00 0.00 O ATOM 376 OE2 GLU A 378 -15.366 8.228 -5.325 1.00 0.00 O ATOM 0 H GLU A 378 -9.657 8.350 -5.808 1.00 0.00 H new ATOM 0 HA GLU A 378 -11.054 6.084 -5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.951 8.399 -5.229 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.872 8.303 -6.977 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.491 6.413 -6.939 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -13.579 6.530 -5.193 1.00 0.00 H new ATOM 383 N GLY A 379 -10.360 6.208 -8.263 1.00 0.00 N ATOM 384 CA GLY A 379 -10.336 5.428 -9.482 1.00 0.00 C ATOM 385 C GLY A 379 -9.579 4.123 -9.347 1.00 0.00 C ATOM 386 O GLY A 379 -9.970 3.115 -9.933 1.00 0.00 O ATOM 0 H GLY A 379 -9.897 7.114 -8.328 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.360 5.215 -9.788 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -9.883 6.022 -10.276 1.00 0.00 H new ATOM 390 N SER A 380 -8.487 4.135 -8.588 1.00 0.00 N ATOM 391 CA SER A 380 -7.683 2.932 -8.409 1.00 0.00 C ATOM 392 C SER A 380 -8.369 1.928 -7.487 1.00 0.00 C ATOM 393 O SER A 380 -8.423 0.736 -7.784 1.00 0.00 O ATOM 394 CB SER A 380 -6.313 3.291 -7.856 1.00 0.00 C ATOM 395 OG SER A 380 -5.525 2.133 -7.649 1.00 0.00 O ATOM 0 H SER A 380 -8.142 4.956 -8.092 1.00 0.00 H new ATOM 0 HA SER A 380 -7.567 2.465 -9.387 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.803 3.962 -8.547 1.00 0.00 H new ATOM 0 HB3 SER A 380 -6.427 3.829 -6.915 1.00 0.00 H new ATOM 0 HG SER A 380 -4.649 2.393 -7.295 1.00 0.00 H new ATOM 401 N CYS A 381 -8.874 2.417 -6.363 1.00 0.00 N ATOM 402 CA CYS A 381 -9.537 1.568 -5.376 1.00 0.00 C ATOM 403 C CYS A 381 -10.705 0.787 -5.972 1.00 0.00 C ATOM 404 O CYS A 381 -10.844 -0.413 -5.730 1.00 0.00 O ATOM 405 CB CYS A 381 -10.025 2.419 -4.209 1.00 0.00 C ATOM 406 SG CYS A 381 -8.688 3.288 -3.336 1.00 0.00 S ATOM 0 H CYS A 381 -8.838 3.404 -6.108 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.804 0.840 -5.027 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.743 3.151 -4.579 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.556 1.782 -3.502 1.00 0.00 H new ATOM 411 N ASN A 382 -11.546 1.471 -6.736 1.00 0.00 N ATOM 412 CA ASN A 382 -12.712 0.839 -7.351 1.00 0.00 C ATOM 413 C ASN A 382 -12.317 -0.400 -8.149 1.00 0.00 C ATOM 414 O ASN A 382 -13.122 -1.314 -8.331 1.00 0.00 O ATOM 415 CB ASN A 382 -13.436 1.830 -8.264 1.00 0.00 C ATOM 416 CG ASN A 382 -13.914 3.073 -7.533 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.656 3.142 -6.230 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.512 3.965 -8.134 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.445 2.464 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.382 0.531 -6.548 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.767 2.126 -9.072 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.291 1.334 -8.723 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.691 3.875 -9.134 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.829 4.794 -7.632 1.00 0.00 H new ATOM 425 N LYS A 383 -11.082 -0.418 -8.633 1.00 0.00 N ATOM 426 CA LYS A 383 -10.584 -1.534 -9.424 1.00 0.00 C ATOM 427 C LYS A 383 -10.054 -2.646 -8.527 1.00 0.00 C ATOM 428 O LYS A 383 -10.195 -3.830 -8.832 1.00 0.00 O ATOM 429 CB LYS A 383 -9.477 -1.046 -10.360 1.00 0.00 C ATOM 430 CG LYS A 383 -9.802 0.273 -11.048 1.00 0.00 C ATOM 431 CD LYS A 383 -11.064 0.185 -11.899 1.00 0.00 C ATOM 432 CE LYS A 383 -10.846 -0.635 -13.165 1.00 0.00 C ATOM 433 NZ LYS A 383 -10.553 -2.065 -12.870 1.00 0.00 N ATOM 0 H LYS A 383 -10.405 0.331 -8.490 1.00 0.00 H new ATOM 0 HA LYS A 383 -11.409 -1.936 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -8.554 -0.932 -9.791 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.292 -1.807 -11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -9.927 1.052 -10.296 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -8.962 0.569 -11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -11.866 -0.262 -11.312 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -11.389 1.190 -12.170 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -11.734 -0.571 -13.794 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -10.021 -0.207 -13.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -10.871 -2.656 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -9.529 -2.189 -12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -11.054 -2.351 -12.005 1.00 0.00 H new ATOM 447 N LYS A 384 -9.426 -2.250 -7.427 1.00 0.00 N ATOM 448 CA LYS A 384 -8.846 -3.190 -6.481 1.00 0.00 C ATOM 449 C LYS A 384 -9.911 -3.968 -5.712 1.00 0.00 C ATOM 450 O LYS A 384 -10.848 -3.384 -5.168 1.00 0.00 O ATOM 451 CB LYS A 384 -7.946 -2.429 -5.509 1.00 0.00 C ATOM 452 CG LYS A 384 -6.570 -2.072 -6.068 1.00 0.00 C ATOM 453 CD LYS A 384 -6.630 -1.511 -7.481 1.00 0.00 C ATOM 454 CE LYS A 384 -6.421 -2.595 -8.528 1.00 0.00 C ATOM 455 NZ LYS A 384 -6.471 -2.049 -9.912 1.00 0.00 N ATOM 0 H LYS A 384 -9.306 -1.271 -7.168 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.263 -3.919 -7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -8.451 -1.511 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -7.814 -3.030 -4.609 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -6.096 -1.341 -5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -5.940 -2.961 -6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -7.596 -1.032 -7.641 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -5.868 -0.740 -7.599 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -5.458 -3.078 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.186 -3.363 -8.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -7.262 -2.484 -10.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -6.607 -1.019 -9.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.579 -2.262 -10.402 1.00 0.00 H new ATOM 469 N ASP A 385 -9.748 -5.290 -5.658 1.00 0.00 N ATOM 470 CA ASP A 385 -10.683 -6.149 -4.939 1.00 0.00 C ATOM 471 C ASP A 385 -10.390 -6.112 -3.442 1.00 0.00 C ATOM 472 O ASP A 385 -9.645 -5.255 -2.976 1.00 0.00 O ATOM 473 CB ASP A 385 -10.598 -7.586 -5.455 1.00 0.00 C ATOM 474 CG ASP A 385 -11.005 -7.703 -6.911 1.00 0.00 C ATOM 475 OD1 ASP A 385 -10.359 -7.058 -7.762 1.00 0.00 O ATOM 476 OD2 ASP A 385 -11.973 -8.439 -7.199 1.00 0.00 O ATOM 0 H ASP A 385 -8.977 -5.787 -6.104 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.693 -5.777 -5.111 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.578 -7.952 -5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.240 -8.225 -4.849 1.00 0.00 H new ATOM 481 N GLN A 386 -10.972 -7.044 -2.693 1.00 0.00 N ATOM 482 CA GLN A 386 -10.764 -7.101 -1.247 1.00 0.00 C ATOM 483 C GLN A 386 -9.278 -7.134 -0.904 1.00 0.00 C ATOM 484 O GLN A 386 -8.783 -6.287 -0.161 1.00 0.00 O ATOM 485 CB GLN A 386 -11.460 -8.331 -0.660 1.00 0.00 C ATOM 486 CG GLN A 386 -11.285 -8.474 0.844 1.00 0.00 C ATOM 487 CD GLN A 386 -11.988 -9.697 1.400 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.696 -10.827 1.008 1.00 0.00 O ATOM 489 NE2 GLN A 386 -12.922 -9.478 2.318 1.00 0.00 N ATOM 0 H GLN A 386 -11.589 -7.768 -3.060 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.196 -6.200 -0.811 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.524 -8.279 -0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.072 -9.225 -1.148 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.222 -8.533 1.078 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.671 -7.582 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.132 -8.525 2.614 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.429 -10.263 2.727 1.00 0.00 H new ATOM 498 N ASN A 387 -8.575 -8.117 -1.451 1.00 0.00 N ATOM 499 CA ASN A 387 -7.155 -8.273 -1.215 1.00 0.00 C ATOM 500 C ASN A 387 -6.358 -7.126 -1.829 1.00 0.00 C ATOM 501 O ASN A 387 -5.253 -6.820 -1.385 1.00 0.00 O ATOM 502 CB ASN A 387 -6.694 -9.604 -1.797 1.00 0.00 C ATOM 503 CG ASN A 387 -7.367 -10.790 -1.137 1.00 0.00 C ATOM 504 OD1 ASN A 387 -7.272 -10.977 0.076 1.00 0.00 O ATOM 505 ND2 ASN A 387 -8.050 -11.601 -1.935 1.00 0.00 N ATOM 0 H ASN A 387 -8.976 -8.824 -2.068 1.00 0.00 H new ATOM 0 HA ASN A 387 -6.978 -8.257 -0.140 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -6.903 -9.621 -2.867 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -5.614 -9.693 -1.682 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -8.523 -12.418 -1.548 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -8.102 -11.407 -2.935 1.00 0.00 H new ATOM 512 N GLU A 388 -6.920 -6.505 -2.862 1.00 0.00 N ATOM 513 CA GLU A 388 -6.253 -5.404 -3.546 1.00 0.00 C ATOM 514 C GLU A 388 -6.602 -4.060 -2.918 1.00 0.00 C ATOM 515 O GLU A 388 -5.953 -3.053 -3.202 1.00 0.00 O ATOM 516 CB GLU A 388 -6.615 -5.409 -5.030 1.00 0.00 C ATOM 517 CG GLU A 388 -6.234 -6.697 -5.742 1.00 0.00 C ATOM 518 CD GLU A 388 -6.513 -6.645 -7.231 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.690 -6.463 -7.609 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.556 -6.785 -8.021 1.00 0.00 O ATOM 0 H GLU A 388 -7.835 -6.746 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.178 -5.548 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.688 -5.249 -5.135 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.118 -4.572 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.175 -6.897 -5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.785 -7.528 -5.302 1.00 0.00 H new ATOM 527 N CYS A 389 -7.623 -4.046 -2.066 1.00 0.00 N ATOM 528 CA CYS A 389 -8.035 -2.812 -1.409 1.00 0.00 C ATOM 529 C CYS A 389 -6.862 -2.255 -0.609 1.00 0.00 C ATOM 530 O CYS A 389 -6.549 -2.738 0.479 1.00 0.00 O ATOM 531 CB CYS A 389 -9.243 -3.067 -0.504 1.00 0.00 C ATOM 532 SG CYS A 389 -10.198 -1.569 -0.094 1.00 0.00 S ATOM 0 H CYS A 389 -8.175 -4.867 -1.817 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.332 -2.080 -2.160 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.904 -3.783 -0.992 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.899 -3.530 0.421 1.00 0.00 H new ATOM 537 N LYS A 390 -6.199 -1.260 -1.183 1.00 0.00 N ATOM 538 CA LYS A 390 -5.027 -0.648 -0.569 1.00 0.00 C ATOM 539 C LYS A 390 -5.377 0.188 0.660 1.00 0.00 C ATOM 540 O LYS A 390 -6.537 0.537 0.884 1.00 0.00 O ATOM 541 CB LYS A 390 -4.296 0.197 -1.604 1.00 0.00 C ATOM 542 CG LYS A 390 -3.798 -0.614 -2.792 1.00 0.00 C ATOM 543 CD LYS A 390 -3.119 0.265 -3.833 1.00 0.00 C ATOM 544 CE LYS A 390 -1.870 0.935 -3.278 1.00 0.00 C ATOM 545 NZ LYS A 390 -0.859 -0.061 -2.827 1.00 0.00 N ATOM 0 H LYS A 390 -6.456 -0.855 -2.083 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.377 -1.450 -0.221 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -4.963 0.981 -1.961 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.449 0.691 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -3.097 -1.374 -2.445 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -4.636 -1.139 -3.251 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -2.853 -0.339 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.818 1.027 -4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.432 1.576 -4.043 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -2.144 1.578 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 0.050 0.417 -2.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -1.180 -0.505 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -0.741 -0.791 -3.558 1.00 0.00 H new ATOM 559 N SER A 391 -4.353 0.486 1.461 1.00 0.00 N ATOM 560 CA SER A 391 -4.519 1.264 2.687 1.00 0.00 C ATOM 561 C SER A 391 -5.270 2.572 2.436 1.00 0.00 C ATOM 562 O SER A 391 -6.247 2.862 3.126 1.00 0.00 O ATOM 563 CB SER A 391 -3.156 1.556 3.317 1.00 0.00 C ATOM 564 OG SER A 391 -3.298 2.257 4.541 1.00 0.00 O ATOM 0 H SER A 391 -3.392 0.197 1.279 1.00 0.00 H new ATOM 0 HA SER A 391 -5.117 0.666 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.624 0.620 3.490 1.00 0.00 H new ATOM 0 HB3 SER A 391 -2.551 2.143 2.626 1.00 0.00 H new ATOM 0 HG SER A 391 -2.412 2.430 4.924 1.00 0.00 H new ATOM 570 N PRO A 392 -4.844 3.387 1.443 1.00 0.00 N ATOM 571 CA PRO A 392 -5.511 4.650 1.128 1.00 0.00 C ATOM 572 C PRO A 392 -7.005 4.462 0.940 1.00 0.00 C ATOM 573 O PRO A 392 -7.809 5.330 1.285 1.00 0.00 O ATOM 574 CB PRO A 392 -4.863 5.073 -0.198 1.00 0.00 C ATOM 575 CG PRO A 392 -4.148 3.868 -0.692 1.00 0.00 C ATOM 576 CD PRO A 392 -3.706 3.163 0.540 1.00 0.00 C ATOM 0 HA PRO A 392 -5.401 5.385 1.925 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.615 5.404 -0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -4.175 5.905 -0.051 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -4.802 3.239 -1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.299 4.140 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -3.529 2.102 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -2.781 3.579 0.939 1.00 0.00 H new ATOM 584 N CYS A 393 -7.362 3.318 0.375 1.00 0.00 N ATOM 585 CA CYS A 393 -8.753 2.986 0.115 1.00 0.00 C ATOM 586 C CYS A 393 -9.518 2.752 1.412 1.00 0.00 C ATOM 587 O CYS A 393 -9.101 3.186 2.484 1.00 0.00 O ATOM 588 CB CYS A 393 -8.821 1.733 -0.756 1.00 0.00 C ATOM 589 SG CYS A 393 -7.803 1.822 -2.261 1.00 0.00 S ATOM 0 H CYS A 393 -6.699 2.598 0.086 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.216 3.826 -0.403 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.503 0.874 -0.165 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.858 1.557 -1.041 1.00 0.00 H new ATOM 594 N LYS A 394 -10.636 2.048 1.295 1.00 0.00 N ATOM 595 CA LYS A 394 -11.475 1.725 2.442 1.00 0.00 C ATOM 596 C LYS A 394 -12.434 0.602 2.082 1.00 0.00 C ATOM 597 O LYS A 394 -13.309 0.764 1.231 1.00 0.00 O ATOM 598 CB LYS A 394 -12.254 2.960 2.905 1.00 0.00 C ATOM 599 CG LYS A 394 -13.152 2.700 4.105 1.00 0.00 C ATOM 600 CD LYS A 394 -13.904 3.951 4.528 1.00 0.00 C ATOM 601 CE LYS A 394 -12.954 5.041 4.989 1.00 0.00 C ATOM 602 NZ LYS A 394 -12.188 4.635 6.199 1.00 0.00 N ATOM 0 H LYS A 394 -10.986 1.686 0.408 1.00 0.00 H new ATOM 0 HA LYS A 394 -10.835 1.397 3.261 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -11.548 3.752 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -12.863 3.326 2.078 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -13.865 1.912 3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -12.550 2.339 4.938 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -14.502 4.317 3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -14.597 3.706 5.333 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -12.260 5.282 4.184 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -13.519 5.948 5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -12.226 5.397 6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.604 3.770 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -11.198 4.454 5.938 1.00 0.00 H new ATOM 616 N TRP A 395 -12.251 -0.543 2.726 1.00 0.00 N ATOM 617 CA TRP A 395 -13.089 -1.702 2.466 1.00 0.00 C ATOM 618 C TRP A 395 -14.489 -1.507 3.037 1.00 0.00 C ATOM 619 O TRP A 395 -14.650 -1.066 4.175 1.00 0.00 O ATOM 620 CB TRP A 395 -12.450 -2.959 3.059 1.00 0.00 C ATOM 621 CG TRP A 395 -13.155 -4.222 2.669 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.684 -5.157 3.511 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.396 -4.695 1.338 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.247 -6.178 2.787 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.081 -5.920 1.451 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.103 -4.202 0.061 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.475 -6.657 0.339 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.495 -4.935 -1.043 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.175 -6.151 -0.897 1.00 0.00 C ATOM 0 H TRP A 395 -11.530 -0.692 3.432 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.176 -1.821 1.386 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.411 -3.017 2.736 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.442 -2.876 4.146 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -13.663 -5.101 4.589 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.713 -6.996 3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.580 -3.265 -0.059 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -14.999 -7.595 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.274 -4.565 -2.033 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.469 -6.701 -1.779 1.00 0.00 H new ATOM 640 N HIS A 396 -15.499 -1.842 2.240 1.00 0.00 N ATOM 641 CA HIS A 396 -16.885 -1.708 2.670 1.00 0.00 C ATOM 642 C HIS A 396 -17.593 -3.057 2.671 1.00 0.00 C ATOM 643 O HIS A 396 -17.753 -3.689 1.624 1.00 0.00 O ATOM 644 CB HIS A 396 -17.630 -0.725 1.765 1.00 0.00 C ATOM 645 CG HIS A 396 -17.152 0.685 1.900 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.241 1.398 3.076 1.00 0.00 N ATOM 647 CD2 HIS A 396 -16.573 1.516 1.001 1.00 0.00 C ATOM 648 CE1 HIS A 396 -16.740 2.607 2.896 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.326 2.704 1.646 1.00 0.00 N ATOM 0 H HIS A 396 -15.383 -2.207 1.295 1.00 0.00 H new ATOM 0 HA HIS A 396 -16.884 -1.323 3.690 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.518 -1.041 0.728 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -18.694 -0.764 1.997 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.348 1.288 -0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -16.679 3.384 3.644 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -15.893 3.527 1.227 1.00 0.00 H new ATOM 658 N ASN A 397 -18.019 -3.484 3.857 1.00 0.00 N ATOM 659 CA ASN A 397 -18.718 -4.752 4.018 1.00 0.00 C ATOM 660 C ASN A 397 -20.210 -4.589 3.746 1.00 0.00 C ATOM 661 O ASN A 397 -20.802 -3.564 4.086 1.00 0.00 O ATOM 662 CB ASN A 397 -18.503 -5.305 5.430 1.00 0.00 C ATOM 663 CG ASN A 397 -19.014 -4.366 6.506 1.00 0.00 C ATOM 664 OD1 ASN A 397 -18.550 -3.232 6.629 1.00 0.00 O ATOM 665 ND2 ASN A 397 -19.977 -4.835 7.291 1.00 0.00 N ATOM 0 H ASN A 397 -17.890 -2.965 4.725 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.309 -5.457 3.294 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -19.009 -6.266 5.521 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -17.440 -5.488 5.587 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -20.362 -4.249 8.032 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -20.332 -5.781 7.153 1.00 0.00 H new ATOM 672 N ASP A 398 -20.809 -5.605 3.132 1.00 0.00 N ATOM 673 CA ASP A 398 -22.233 -5.585 2.809 1.00 0.00 C ATOM 674 C ASP A 398 -22.563 -4.428 1.867 1.00 0.00 C ATOM 675 O ASP A 398 -23.657 -3.865 1.912 1.00 0.00 O ATOM 676 CB ASP A 398 -23.069 -5.482 4.089 1.00 0.00 C ATOM 677 CG ASP A 398 -24.556 -5.624 3.826 1.00 0.00 C ATOM 678 OD1 ASP A 398 -24.970 -6.684 3.313 1.00 0.00 O ATOM 679 OD2 ASP A 398 -25.307 -4.674 4.135 1.00 0.00 O ATOM 0 H ASP A 398 -20.327 -6.458 2.846 1.00 0.00 H new ATOM 0 HA ASP A 398 -22.479 -6.518 2.302 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.752 -6.255 4.789 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -22.878 -4.521 4.567 1.00 0.00 H new ATOM 684 N ALA A 399 -21.612 -4.089 1.002 1.00 0.00 N ATOM 685 CA ALA A 399 -21.800 -3.014 0.036 1.00 0.00 C ATOM 686 C ALA A 399 -22.531 -3.532 -1.195 1.00 0.00 C ATOM 687 O ALA A 399 -22.127 -3.267 -2.328 1.00 0.00 O ATOM 688 CB ALA A 399 -20.461 -2.423 -0.359 1.00 0.00 C ATOM 0 H ALA A 399 -20.701 -4.545 0.951 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.404 -2.233 0.497 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.616 -1.621 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -19.964 -2.024 0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.839 -3.198 -0.806 1.00 0.00 H new ATOM 694 N GLU A 400 -23.592 -4.299 -0.950 1.00 0.00 N ATOM 695 CA GLU A 400 -24.392 -4.906 -2.012 1.00 0.00 C ATOM 696 C GLU A 400 -23.660 -6.105 -2.599 1.00 0.00 C ATOM 697 O GLU A 400 -24.279 -7.049 -3.089 1.00 0.00 O ATOM 698 CB GLU A 400 -24.719 -3.892 -3.114 1.00 0.00 C ATOM 699 CG GLU A 400 -25.512 -2.692 -2.623 1.00 0.00 C ATOM 700 CD GLU A 400 -25.810 -1.698 -3.729 1.00 0.00 C ATOM 701 OE1 GLU A 400 -24.851 -1.172 -4.329 1.00 0.00 O ATOM 702 OE2 GLU A 400 -27.005 -1.449 -3.995 1.00 0.00 O ATOM 0 H GLU A 400 -23.921 -4.517 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 400 -25.333 -5.240 -1.575 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.789 -3.543 -3.562 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -25.284 -4.393 -3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -26.450 -3.035 -2.185 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -24.955 -2.192 -1.831 1.00 0.00 H new ATOM 709 N ASN A 401 -22.332 -6.055 -2.534 1.00 0.00 N ATOM 710 CA ASN A 401 -21.487 -7.123 -3.043 1.00 0.00 C ATOM 711 C ASN A 401 -20.026 -6.813 -2.742 1.00 0.00 C ATOM 712 O ASN A 401 -19.129 -7.180 -3.503 1.00 0.00 O ATOM 713 CB ASN A 401 -21.699 -7.280 -4.547 1.00 0.00 C ATOM 714 CG ASN A 401 -21.291 -6.043 -5.321 1.00 0.00 C ATOM 715 OD1 ASN A 401 -20.105 -5.745 -5.465 1.00 0.00 O ATOM 716 ND2 ASN A 401 -22.278 -5.300 -5.803 1.00 0.00 N ATOM 0 H ASN A 401 -21.816 -5.274 -2.128 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.755 -8.059 -2.553 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.125 -8.135 -4.905 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -22.749 -7.497 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.068 -4.444 -6.316 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -23.247 -5.585 -5.660 1.00 0.00 H new ATOM 723 N LYS A 402 -19.806 -6.123 -1.622 1.00 0.00 N ATOM 724 CA LYS A 402 -18.465 -5.734 -1.190 1.00 0.00 C ATOM 725 C LYS A 402 -17.853 -4.740 -2.173 1.00 0.00 C ATOM 726 O LYS A 402 -17.805 -4.997 -3.377 1.00 0.00 O ATOM 727 CB LYS A 402 -17.565 -6.964 -1.056 1.00 0.00 C ATOM 728 CG LYS A 402 -18.075 -7.990 -0.055 1.00 0.00 C ATOM 729 CD LYS A 402 -18.146 -7.416 1.352 1.00 0.00 C ATOM 730 CE LYS A 402 -18.702 -8.430 2.341 1.00 0.00 C ATOM 731 NZ LYS A 402 -17.872 -9.664 2.398 1.00 0.00 N ATOM 0 H LYS A 402 -20.549 -5.820 -0.992 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.547 -5.255 -0.215 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.467 -7.439 -2.032 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.568 -6.642 -0.757 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -19.064 -8.334 -0.358 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -17.419 -8.861 -0.060 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -17.151 -7.104 1.670 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.774 -6.525 1.351 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.752 -7.980 3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -19.722 -8.691 2.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -18.159 -10.238 3.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -18.007 -10.214 1.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.869 -9.404 2.492 1.00 0.00 H new ATOM 745 N LYS A 403 -17.402 -3.593 -1.664 1.00 0.00 N ATOM 746 CA LYS A 403 -16.819 -2.565 -2.522 1.00 0.00 C ATOM 747 C LYS A 403 -15.689 -1.801 -1.835 1.00 0.00 C ATOM 748 O LYS A 403 -15.822 -1.364 -0.691 1.00 0.00 O ATOM 749 CB LYS A 403 -17.904 -1.579 -2.951 1.00 0.00 C ATOM 750 CG LYS A 403 -19.016 -2.212 -3.770 1.00 0.00 C ATOM 751 CD LYS A 403 -18.538 -2.609 -5.160 1.00 0.00 C ATOM 752 CE LYS A 403 -18.097 -1.398 -5.968 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.216 -0.443 -6.194 1.00 0.00 N ATOM 0 H LYS A 403 -17.429 -3.355 -0.672 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.395 -3.071 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.336 -1.119 -2.062 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.446 -0.779 -3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -19.394 -3.092 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.847 -1.512 -3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -17.709 -3.311 -5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -19.340 -3.126 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -17.286 -0.890 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -17.701 -1.727 -6.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -18.942 0.247 -6.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -20.058 -0.964 -6.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -19.431 0.056 -5.307 1.00 0.00 H new ATOM 767 N CYS A 404 -14.590 -1.619 -2.564 1.00 0.00 N ATOM 768 CA CYS A 404 -13.435 -0.877 -2.062 1.00 0.00 C ATOM 769 C CYS A 404 -13.453 0.541 -2.633 1.00 0.00 C ATOM 770 O CYS A 404 -13.660 0.723 -3.834 1.00 0.00 O ATOM 771 CB CYS A 404 -12.135 -1.590 -2.454 1.00 0.00 C ATOM 772 SG CYS A 404 -10.616 -0.742 -1.907 1.00 0.00 S ATOM 0 H CYS A 404 -14.475 -1.978 -3.512 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.486 -0.827 -0.974 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.146 -2.596 -2.035 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.106 -1.697 -3.538 1.00 0.00 H new ATOM 777 N THR A 405 -13.257 1.544 -1.780 1.00 0.00 N ATOM 778 CA THR A 405 -13.277 2.934 -2.233 1.00 0.00 C ATOM 779 C THR A 405 -12.233 3.787 -1.516 1.00 0.00 C ATOM 780 O THR A 405 -12.000 3.632 -0.318 1.00 0.00 O ATOM 781 CB THR A 405 -14.663 3.571 -2.028 1.00 0.00 C ATOM 782 OG1 THR A 405 -14.995 3.585 -0.634 1.00 0.00 O ATOM 783 CG2 THR A 405 -15.732 2.810 -2.800 1.00 0.00 C ATOM 0 H THR A 405 -13.084 1.424 -0.782 1.00 0.00 H new ATOM 0 HA THR A 405 -13.040 2.909 -3.297 1.00 0.00 H new ATOM 0 HB THR A 405 -14.625 4.593 -2.404 1.00 0.00 H new ATOM 0 HG1 THR A 405 -15.286 4.484 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 405 -16.702 3.280 -2.638 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.494 2.826 -3.864 1.00 0.00 H new ATOM 0 HG23 THR A 405 -15.767 1.778 -2.452 1.00 0.00 H new ATOM 791 N LEU A 406 -11.614 4.689 -2.272 1.00 0.00 N ATOM 792 CA LEU A 406 -10.592 5.585 -1.744 1.00 0.00 C ATOM 793 C LEU A 406 -11.200 6.607 -0.795 1.00 0.00 C ATOM 794 O LEU A 406 -12.307 7.097 -1.015 1.00 0.00 O ATOM 795 CB LEU A 406 -9.883 6.296 -2.901 1.00 0.00 C ATOM 796 CG LEU A 406 -8.592 7.042 -2.548 1.00 0.00 C ATOM 797 CD1 LEU A 406 -8.885 8.365 -1.861 1.00 0.00 C ATOM 798 CD2 LEU A 406 -7.696 6.175 -1.681 1.00 0.00 C ATOM 0 H LEU A 406 -11.807 4.819 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 406 -9.868 4.993 -1.184 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.652 5.556 -3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.580 7.008 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 406 -8.069 7.262 -3.479 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -7.947 8.868 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -9.478 8.996 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -9.440 8.182 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -6.784 6.721 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -8.219 5.918 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -7.441 5.262 -2.220 1.00 0.00 H new ATOM 810 N ASP A 407 -10.456 6.933 0.253 1.00 0.00 N ATOM 811 CA ASP A 407 -10.904 7.913 1.234 1.00 0.00 C ATOM 812 C ASP A 407 -9.811 8.950 1.473 1.00 0.00 C ATOM 813 O ASP A 407 -8.671 8.599 1.769 1.00 0.00 O ATOM 814 CB ASP A 407 -11.276 7.221 2.547 1.00 0.00 C ATOM 815 CG ASP A 407 -11.820 8.188 3.580 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.837 8.853 3.293 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.232 8.278 4.678 1.00 0.00 O ATOM 0 H ASP A 407 -9.538 6.533 0.446 1.00 0.00 H new ATOM 0 HA ASP A 407 -11.789 8.418 0.847 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -12.020 6.450 2.349 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.397 6.719 2.951 1.00 0.00 H new ATOM 822 N LYS A 408 -10.160 10.224 1.323 1.00 0.00 N ATOM 823 CA LYS A 408 -9.197 11.305 1.507 1.00 0.00 C ATOM 824 C LYS A 408 -8.736 11.402 2.957 1.00 0.00 C ATOM 825 O LYS A 408 -7.541 11.497 3.225 1.00 0.00 O ATOM 826 CB LYS A 408 -9.792 12.639 1.062 1.00 0.00 C ATOM 827 CG LYS A 408 -10.152 12.679 -0.415 1.00 0.00 C ATOM 828 CD LYS A 408 -10.709 14.034 -0.819 1.00 0.00 C ATOM 829 CE LYS A 408 -11.008 14.092 -2.308 1.00 0.00 C ATOM 830 NZ LYS A 408 -11.977 13.040 -2.720 1.00 0.00 N ATOM 0 H LYS A 408 -11.100 10.533 1.075 1.00 0.00 H new ATOM 0 HA LYS A 408 -8.330 11.077 0.888 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -10.686 12.844 1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -9.079 13.435 1.276 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -9.268 12.456 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -10.887 11.904 -0.632 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.620 14.237 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -9.994 14.815 -0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -11.409 15.074 -2.560 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -10.081 13.972 -2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -12.323 13.243 -3.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -11.507 12.112 -2.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -12.779 13.028 -2.058 1.00 0.00 H new ATOM 844 N GLU A 409 -9.685 11.378 3.889 1.00 0.00 N ATOM 845 CA GLU A 409 -9.362 11.466 5.308 1.00 0.00 C ATOM 846 C GLU A 409 -8.364 10.382 5.700 1.00 0.00 C ATOM 847 O GLU A 409 -7.370 10.650 6.379 1.00 0.00 O ATOM 848 CB GLU A 409 -10.633 11.340 6.149 1.00 0.00 C ATOM 849 CG GLU A 409 -10.381 11.428 7.644 1.00 0.00 C ATOM 850 CD GLU A 409 -11.650 11.301 8.466 1.00 0.00 C ATOM 851 OE1 GLU A 409 -12.734 11.141 7.867 1.00 0.00 O ATOM 852 OE2 GLU A 409 -11.559 11.360 9.711 1.00 0.00 O ATOM 0 H GLU A 409 -10.682 11.298 3.687 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.908 12.439 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -11.330 12.126 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -11.115 10.388 5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -9.685 10.642 7.937 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.901 12.380 7.871 1.00 0.00 H new ATOM 859 N GLU A 410 -8.630 9.158 5.255 1.00 0.00 N ATOM 860 CA GLU A 410 -7.752 8.033 5.548 1.00 0.00 C ATOM 861 C GLU A 410 -6.419 8.206 4.834 1.00 0.00 C ATOM 862 O GLU A 410 -5.359 8.007 5.427 1.00 0.00 O ATOM 863 CB GLU A 410 -8.416 6.717 5.137 1.00 0.00 C ATOM 864 CG GLU A 410 -7.585 5.486 5.461 1.00 0.00 C ATOM 865 CD GLU A 410 -8.335 4.192 5.205 1.00 0.00 C ATOM 866 OE1 GLU A 410 -9.521 4.260 4.817 1.00 0.00 O ATOM 867 OE2 GLU A 410 -7.740 3.112 5.401 1.00 0.00 O ATOM 0 H GLU A 410 -9.446 8.921 4.691 1.00 0.00 H new ATOM 0 HA GLU A 410 -7.568 8.003 6.622 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -9.381 6.635 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.614 6.739 4.065 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -6.675 5.499 4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -7.279 5.524 6.506 1.00 0.00 H new ATOM 874 N ALA A 411 -6.479 8.587 3.561 1.00 0.00 N ATOM 875 CA ALA A 411 -5.274 8.805 2.767 1.00 0.00 C ATOM 876 C ALA A 411 -4.364 9.829 3.434 1.00 0.00 C ATOM 877 O ALA A 411 -3.140 9.703 3.409 1.00 0.00 O ATOM 878 CB ALA A 411 -5.646 9.261 1.364 1.00 0.00 C ATOM 0 H ALA A 411 -7.350 8.751 3.057 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.732 7.862 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -4.739 9.421 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.257 8.497 0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.209 10.193 1.421 1.00 0.00 H new ATOM 884 N LYS A 412 -4.969 10.844 4.038 1.00 0.00 N ATOM 885 CA LYS A 412 -4.216 11.884 4.723 1.00 0.00 C ATOM 886 C LYS A 412 -3.464 11.295 5.909 1.00 0.00 C ATOM 887 O LYS A 412 -2.297 11.612 6.141 1.00 0.00 O ATOM 888 CB LYS A 412 -5.154 12.995 5.195 1.00 0.00 C ATOM 889 CG LYS A 412 -5.806 13.768 4.059 1.00 0.00 C ATOM 890 CD LYS A 412 -6.869 14.729 4.571 1.00 0.00 C ATOM 891 CE LYS A 412 -6.276 15.789 5.487 1.00 0.00 C ATOM 892 NZ LYS A 412 -7.313 16.737 5.985 1.00 0.00 N ATOM 0 H LYS A 412 -5.981 10.968 4.067 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.495 12.308 4.025 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.933 12.559 5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.594 13.690 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.044 14.325 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.256 13.069 3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.360 15.212 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.635 14.171 5.109 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -5.789 15.306 6.334 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.506 16.343 4.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -6.868 17.443 6.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -7.760 17.217 5.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -8.035 16.213 6.519 1.00 0.00 H new